[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O3S/c1-16(2)22(3,15-23)24-19(25)14-27-21(26)20(17-10-6-4-7-11-17)28-18-12-8-5-9-13-18/h4-13,16,20H,14H2,1-3H3,(H,24,25)/t20-,22-/m0/s1